4-bromanyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-mesylpiperazin-1-ium-1-yl)methyl]phenol Formula: C12H18BrN2O3S+ MolecularWeight: 350.25192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C12H17BrN2O3S/c1-19(17,18)15-6-4-14(5-7-15)9-10-8-11(13)2-3-12(10)16/h2-3,8,16H,4-7,9H2,1H3/p+1